C17880


Entry
C17880                      Compound                               
Name
Cryptocyanin;
Cryptocyanine iodide
Formula
C25H25N2. I
Exact mass
480.1062
Mol weight
480.3839
Structure
Brite
Classification of Japanese OTC drugs [BR:br08313]
 Other (not belonging to any other category)
  85 Other (not belonging to any other category)
   C17880  Cryptocyanin
Other DBs
CAS: 4727-50-8
PubChem: 172232237
KCF data

ATOM        28
            1   C8x C    14.9800  -18.1300
            2   C8x C    14.9800  -19.5300
            3   C8x C    16.1700  -20.2300
            4   C8y C    17.4300  -19.5300
            5   C8y C    17.4300  -18.1300
            6   C8x C    16.1700  -17.4300
            7   N5y N    18.6200  -20.2300 #+
            8   C8x C    19.8100  -19.5300
            9   C8x C    19.8100  -18.1300
            10  C8y C    18.6200  -17.4300
            11  C1b C    18.6200  -21.6300
            12  C2b C    18.6200  -16.0300
            13  C1a C    17.4300  -22.3300
            14  C2b C    19.8100  -15.3300
            15  C2b C    21.0000  -16.0300
            16  C8y C    22.1900  -15.3300
            17  C8x C    23.3800  -16.0300
            18  C8x C    24.6400  -15.3300
            19  N4y N    24.6400  -13.9300
            20  C8y C    23.4500  -13.2300
            21  C8y C    22.1900  -13.9300
            22  C8x C    23.4500  -11.8300
            23  C8x C    22.1900  -11.1300
            24  C8x C    21.0000  -11.8300
            25  C8x C    21.0000  -13.2300
            26  C1b C    25.8300  -13.2300
            27  C1a C    27.0200  -13.9300
            28  X   I    21.2800  -20.1600 #-
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    7  11 1
            13   10  12 1
            14   11  13 1
            15   12  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1
            24   20  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   21  25 2
            29   19  26 1
            30   26  27 1